SCHEMBL7708927

SCHEMBL7708927

CCCC(CCC(=O)OCC)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A4 P31645 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9889372 0.84 MAPT (0.58) NPC1MEN1KMT2AMAPTMAPK1
SCHEMBL29029672 0.83 SMN1; SMN2 (0.48) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7714554 0.83 NPC1 (0.50) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL27496358 0.82 SMN1; SMN2 (0.47) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12091718 0.81 SMN1; SMN2 (0.46) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29029675 0.79 SMN1; SMN2 (0.44) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7708924 0.79 SMN1; SMN2 (0.44) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9258457 0.79 LMNA (0.50) NPC1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL28568347 0.78 KMT2A (0.66) NPC1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL28573269 0.78 KMT2A (0.44) NPC1MEN1KMT2ASMN1; SMN2CYP4F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed